Geometry & MOs

Info

ID:	392094
PubChem CID:	135012810
Reduced:	O5C14H14 (1)
Stoich.:	A5B14C14 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-59.51
Dipole, Da:	3.07
IP(EA), eV:	-10.31(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2-(2-methylpropyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C[C@@]12COC(=O)[C@@H]1C(=O)C34[C@@]2(CCC3=C)OC(=O)C4

DOS

IR

Vibrations